mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-551613
9.457709
11.276085
0.67588
other
Ba2Cu1W1O6
10
139
141.44
mp-23130
8.161811
9.983615
1.177429
other
Sr4Co2Cl4O4
14
139
248.93
mp-23133
7.558201
9.663833
0.633281
other
Sr2Cu3Br2O4
11
139
208.6
mp-1147765
9.892402
7.746992
-1.002887
other
Cu1Pb2O2F2
7
139
119.49
mp-1147550
-3.782956
-4.469188
1.287176
other
Ba2Zn3P2O2
9
139
171.14
mp-1275358
8.401516
11.556676
2.303613
other
Sr8Mn4Nb4O24
40
139
523.14
mp-1206231
8.26582
0.487923
0.690497
other
Cs2Rb1Pd1F6
10
139
215.05
mp-561894
8.806684
11.20563
0.70198
other
Ba4Co2Mo2O12
20
139
277.17
mp-1220993
10.548847
11.73313
3.322626
other
Na1Nd1Nb4O12
18
139
253.41
mp-1222371
10.637238
12.496579
0.112571
other
Li1Zn2Cr1O4
8
139
77.32
mp-759438
10.219546
0.740697
0.952416
other
Li12Co2O2F12
28
139
246.57
mp-1019888
2.053499
2.191165
1.164833
other
K1Na2B1N2
6
139
94.31
mp-1046611
6.271064
11.084226
0.508188
other
Sr3Fe2S2O5
12
139
187.69
mp-753864
10.418628
11.447612
3.305204
other
Sr2Li2Nb4O13
21
139
276.81
mp-1227554
10.450838
10.191095
1.552874
other
Ba1Ti4Bi4O15
24
139
309.59
mp-1218756
7.352742
11.812486
2.125764
other
Sr2La1Mn2O7
12
139
155.32
mp-1214137
8.078658
9.741335
1.85267
other
Ca2La2Cu3O8
15
139
201.22
mp-1078182
11.038586
7.947134
2.571746
original
Nd2Fe2Se2O3
9
139
158.12
mp-1218363
7.380843
9.717566
1.016759
other
Sr1Ca1Cu2O4
8
139
102.6
mp-656880
7.421806
11.507464
0.488592
other
Y2Mn2S2O5
11
139
167.62
mp-1228571
6.327296
11.19398
0.709486
other
Ba2Pr2Co4O11
19
139
246.11
mp-1224363
0.628975
1.501444
2.808198
other
Hf1Nb4C1N4
10
139
112.49
mp-568083
-4.293113
1.37111
2.796432
other
La1Ni2B2C1
6
139
70.09
mp-1080777
11.107942
7.899729
2.595228
other
Pr2Fe2Se2O3
9
139
160.31
mp-552802
11.557305
8.256341
2.528548
other
Er1U2S3O2
8
139
151.91
mp-696904
10.233933
9.010004
-0.247707
other
Ca1Bi2C2O2
7
139
134.27
mp-1205859
8.317806
0.60779
0.639277
other
K1Rb2Pd1F6
10
139
192.8
mp-1025410
11.529232
8.193851
2.531978
other
Lu1U2S3O2
8
139
149.83
mp-560145
9.410443
8.386646
-0.597809
other
Ba1Bi4Cl2O6
13
139
263.4
mp-552028
11.338175
9.703383
2.885715
other
Nd2Ti2S2O5
11
139
175.01
mp-1220780
10.50296
11.720229
3.31307
other
Na1La1Nb4O12
18
139
254.91
mp-1210028
10.69823
11.575006
2.357772
other
Nb3Pb2O8F4
17
139
256.65
mp-1147743
6.189835
4.519062
2.126266
other
Th2Cu1N2O2
7
139
100.17
mp-20763
10.23279
10.818766
3.162691
other
Na2Gd2Ti3O10
17
139
210.05
mp-1309882
8.355634
11.323577
2.381202
other
Ba8Ta4Mn4O24
40
139
557.41
mp-10860
-4.164081
1.520425
2.760195
other
Ce1Ni2B2C1
6
139
67.13
mp-680728
-4.89897
-0.911312
-4.301901
other
K6Fe24S26Cl1
57
139
981.67
mp-1217030
10.445113
9.167847
0.577566
other
Ti1Bi2O4F2
9
139
117.24
mp-1205646
8.688174
0.796043
0.453076
other
K2Li1Pd1F6
10
139
142.27
mp-2224754
11.136128
9.131169
1.925845
other
Pr2Mg1Cu1O4
8
139
137.47
mp-1024975
-4.27457
1.17164
2.75385
other
Ce1B2Pt2C1
6
139
79.54
mp-2227814
11.111296
9.0523
2.033749
other
Nd2Mg1Cu1O4
8
139
147.45
mp-1147601
-2.662428
-1.395622
-5.598911
other
Cu1Pb2S2Cl2
7
139
164.05
mp-2242214
11.797248
10.073425
1.245509
other
Eu2Mg1V1O4
8
139
149.38
mp-1273175
11.832261
11.005181
0.557355
other
Sr4V2Mo2O12
20
139
255.21
mp-1025360
12.613812
9.319097
2.39625
other
Na2Ti2As2O1
7
139
128.18
mp-1272719
8.354442
11.549189
2.363198
other
Sr8Ta4Mn4O24
40
139
519.78
mp-6092
-4.415492
1.370677
2.839739
other
Tb1Ni2B2C1
6
139
65.49
mp-1211261
-5.514463
-4.060029
0.445874
other
La3Cu4As4O2
13
139
238.62
mp-543024
-0.687818
1.856598
-4.500691
other
Cs2Pd1I2Br4
9
139
345.5
mp-1048100
7.539809
8.943497
-1.271241
other
Ba2Tl2Bi4O12
20
139
382.37
mp-1214142
12.312919
6.744651
0.234385
other
Ca11Si4Cl1O18
34
139
498.03
mp-20728
-4.412352
1.395467
2.83499
other
Gd1Ni2B2C1
6
139
66.15
mp-561294
10.30693
11.31026
3.191282
other
Sr1Li2Nb2O7
12
139
148.31
mp-23105
8.092427
11.11759
1.226208
other
Sr3Fe2Br2O5
12
139
214.88
mp-1222522
11.404885
10.216667
2.72429
other
Li1La3Ti4O12
20
139
243
mp-1079232
1.546392
2.733669
-5.842299
other
Cs2Hg1Pd1Cl6
10
139
323.66
mp-2227359
10.570241
9.986027
1.658894
other
Ba2Mg1Mn1O4
8
139
157.49
mp-18861
7.958991
11.419863
2.273879
other
Ba1Nd2Mn2O7
12
139
162.17
mp-990430
11.230827
11.368688
2.130261
other
Sr1Ta2H2O7
12
139
150.76
mp-1147595
9.676598
7.739489
-1.778823
other
Cu1Pb2Cl2O2
7
139
131.15
mp-1273949
7.505328
10.656831
0.692185
other
Sr4Co2Sb2O12
20
139
256.42
mp-545481
8.243531
9.412331
1.190588
other
Ca2Cu1Br2O2
7
139
133.56
mp-557410
10.45004
9.262665
-1.853878
other
Nd2Te4Br2O10
18
139
282.32
mp-1147579
-2.786618
-1.357086
-5.503321
other
Sr2Cu1S2Cl2
7
139
170.77
mp-1177837
10.915077
13.026752
0.322402
other
Li8Ti4Fe4O16
32
139
289.27
mp-1079800
10.670222
8.134127
2.477577
other
La2Co2Se2O3
9
139
156.06
mp-5992
-5.321456
1.007553
2.984253
other
La1B2Ir2C1
6
139
79.7
mp-1250522
9.12655
7.939067
-3.460335
other
Ca4Cr8Si12O48
72
142
847.11
mp-1258129
11.880655
7.557481
-1.844032
other
Mg12Mn8Si12O48
80
142
823.4
mp-1221383
12.881629
6.482338
-0.948933
other
Na8Mg4Si20O48
80
142
766.38
mp-24195
10.996229
3.819826
-4.299208
other
Mg4P8H64O40
116
142
1,116.78
mp-542114
10.878305
3.873563
-4.312498
other
Co4P8H64O40
116
142
1,092.8
mp-19084
10.687555
12.443069
-3.393304
other
Ba4Mg8V8O32
52
142
684.81
mp-1195366
2.135147
2.8245
-4.61139
other
Cu8Pb16Cl24O16
64
142
1,383.53
mp-1228716
10.253207
9.06951
0.597881
other
Ca12Ga8Sn12O48
80
142
1,064.08
mp-672252
-2.35638
-0.640561
-5.491793
other
Li8Eu8P8S32
56
142
1,337.65
mp-1265277
11.627931
7.228155
-1.860959
other
Ca12Mn8Si12O48
80
142
913.34
mp-1216309
11.899799
7.291946
-0.041387
other
Y8Mg12Ge12O48
80
142
938.38
mp-1019719
12.968689
5.84518
-1.046421
other
Cs8Si16B8O48
80
142
1,137.36
mp-19504
10.795801
12.033196
-3.497445
other
Ba4V8Co8O32
52
142
682.17
mp-1198740
9.903031
9.593631
3.377539
other
Li28Nd12Zr8O48
96
142
1,074.29
mp-19507
11.567118
12.187778
-2.914804
other
Ba4Mn8V8O32
52
142
727.44
mp-1178119
10.718297
11.178507
3.1399
other
La8Nb16Ag8O56
88
142
1,359.17
mp-26065
8.92933
14.999943
-0.837171
other
Li4Mn24P4O48
80
142
844.99
mp-1198622
9.676003
9.64444
3.384188
other
Li28La12Hf8O48
96
142
1,067.88
mp-865009
4.480742
2.763546
-3.598156
other
In8C48N16Cl48
120
142
3,558.46
mp-1251946
8.807158
8.12693
-2.877012
other
Ca8Fe8Si12O48
76
142
903.54
mp-1249492
8.803707
8.143832
-3.068642
other
Mg8Fe8Si12O48
76
142
789.89
mp-26740
10.293427
8.399613
-6.744144
other
Li4Cr8P12O48
72
142
778.56
mp-1249697
12.665099
8.24355
-1.696001
other
Mn8Fe12Si12O48
80
142
840.74
mp-562920
12.966141
6.249043
-0.453343
other
Cs8Al8Si16O48
80
142
1,355.2
mp-1201838
9.178347
3.097414
-4.982591
other
Al8H128C48O112
296
142
2,805.33
mp-1200057
9.603739
9.348916
1.780087
other
Li28La12Sn8O48
96
142
1,110.66
mp-565843
12.576393
6.413043
-0.964983
other
Ba8Cu8Si16O48
80
142
1,159.84
mp-558986
8.819879
14.983982
-0.590992
other
Ca4Mn24Si4O48
80
142
846.47
mp-1097057
10.278186
10.176263
1.843379
other
La12Zr8Cu28O48
96
142
1,192.68
mp-1250278
12.493339
8.399741
-1.967314
other
Mg8V8Si12O48
76
142
817.49
mp-1264019
11.681676
7.439394
-2.125322
other
Mn8Zn12Si12O48
80
142
835.08
mp-1222909
12.798238
6.732731
-1.004209
other
Li8Mg4Si20O48
80
142
736.6